3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine

C17H19ClN2O — CID 62991827

IUPAC3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(CNC2CC(c3ccccc3Cl)C2)ccn1
InChIInChI=1S/C17H19ClN2O/c1-21-17-8-12(6-7-19-17)11-20-14-9-13(10-14)15-4-2-3-5-16(15)18/h2-8,13-14,20H,9-11H2,1H3
InChIKeyPJOZSQZENHFIJP-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.78
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine

3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 62991827) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID62991827
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(CNC2CC(c3ccccc3Cl)C2)ccn1
InChIInChI=1S/C17H19ClN2O/c1-21-17-8-12(6-7-19-17)11-20-14-9-13(10-14)15-4-2-3-5-16(15)18/h2-8,13-14,20H,9-11H2,1H3
InChIKeyPJOZSQZENHFIJP-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62992022
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81297831
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
CID 64545634
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 62990035
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755
3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
CID 114183034
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine (CID 62991827) is 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine is COc1cc(CNC2CC(c3ccccc3Cl)C2)ccn1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is PJOZSQZENHFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-21-17-8-12(6-7-19-17)11-20-14-9-13(10-14)15-4-2-3-5-16(15)18/h2-8,13-14,20H,9-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 302.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 62991827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).